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CHEMSTAR-ZINC00357496

 MMsINC code: MMs01074813
Type: Neutral
Formula: C15H20N2O5S
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(NC(=O)CCC(OC)=O)cc1
InChI:   InChI=1/C15H20N2O5S/c1-22-15(19)9-8-14(18)16-12-4-6-13(7-5-12)23(20,21)17-10-2-3-11-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)

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Potential Energy
Epot(MMFF94)=40.175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.4 g/mol  logS: -2.22492  SlogP: 1.3628  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0456369  Sterimol/B1: 3.14839  Sterimol/B2: 3.62479  Sterimol/B3: 4.70689
  Sterimol/B4: 4.90732  Sterimol/L: 19.8516 
 
 Surface and Volume Properties
  Accessible surface: 597.216  Positive charged surface: 412.864  Negative charged surface: 184.352  Volume: 304.75
  Hydrophobic surface: 452.261  Hydrophilic surface: 144.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.